UCSF

ZINC25396032

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 6.59 -16.58 0 7 0 70 461.559 6
Mid Mid (pH 6-8) 2.45 8.9 -58.79 1 7 1 71 462.567 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )